N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine

C21H25N5O — CID 89135693

IUPACN-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine
SMILESC=C1CC(Nc2nccc(-c3c[nH]c4c(OC)cccc34)n2)CC(C)(C)N1
InChIInChI=1S/C21H25N5O/c1-13-10-14(11-21(2,3)26-13)24-20-22-9-8-17(25-20)16-12-23-19-15(16)6-5-7-18(19)27-4/h5-9,12,14,23,26H,1,10-11H2,2-4H3,(H,22,24,25)
InChIKeyUVXYVIVMZKVWBR-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.09
Rot. Bonds4

About N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine

N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine (PubChem CID 89135693) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine
PubChem CID89135693
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine
SMILESC=C1CC(Nc2nccc(-c3c[nH]c4c(OC)cccc34)n2)CC(C)(C)N1
InChIInChI=1S/C21H25N5O/c1-13-10-14(11-21(2,3)26-13)24-20-22-9-8-17(25-20)16-12-23-19-15(16)6-5-7-18(19)27-4/h5-9,12,14,23,26H,1,10-11H2,2-4H3,(H,22,24,25)
InChIKeyUVXYVIVMZKVWBR-UHFFFAOYSA-N
XLogP4.09
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine with MolForge

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Related Compounds

3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile
CID 89135798
4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135755
[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol
CID 89135742
N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(5-piperazin-1-ylthiophen-2-yl)pyrimidin-2-amine
CID 89135674
4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135670
[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 89135780
5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide
CID 89135743
1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 89135741
N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206885
2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline
CID 118449001
N-cyclopentyl-4-[5-(2-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206908
N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine
CID 24992713

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine (CID 89135693) is N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine is C=C1CC(Nc2nccc(-c3c[nH]c4c(OC)cccc34)n2)CC(C)(C)N1.
What is the InChIKey of N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine?
The InChIKey is UVXYVIVMZKVWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-13-10-14(11-21(2,3)26-13)24-20-22-9-8-17(25-20)16-12-23-19-15(16)6-5-7-18(19)27-4/h5-9,12,14,23,26H,1,10-11H2,2-4H3,(H,22,24,25).
What are the key properties of N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine?
N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 89135693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).