N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine

C17H23N5O — CID 154753505

IUPACN,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine
SMILESCc1cc(N2CCC(Oc3ccnc(CN(C)C)c3)C2)ncn1
InChIInChI=1S/C17H23N5O/c1-13-8-17(20-12-19-13)22-7-5-16(11-22)23-15-4-6-18-14(9-15)10-21(2)3/h4,6,8-9,12,16H,5,7,10-11H2,1-3H3
InChIKeySHSBDXBOGPZCDP-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.90
Rot. Bonds5

About N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine

N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine (PubChem CID 154753505) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine
PubChem CID154753505
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine
SMILESCc1cc(N2CCC(Oc3ccnc(CN(C)C)c3)C2)ncn1
InChIInChI=1S/C17H23N5O/c1-13-8-17(20-12-19-13)22-7-5-16(11-22)23-15-4-6-18-14(9-15)10-21(2)3/h4,6,8-9,12,16H,5,7,10-11H2,1-3H3
InChIKeySHSBDXBOGPZCDP-UHFFFAOYSA-N
XLogP1.90
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(Benzimidazol-1-Yl)-N-[5-[3-(Dimethylamino)propoxy]pyridin-2-Yl]pyrimidin-4-Amine
CID 76871873
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine
CID 6487569
5-Methoxy-4-phenoxy-2-(2-pyridinyl)pyrimidine
CID 3849120
4-N-butyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887507
N-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 155230663
3-Methyl-1-[2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidin-4-yl]azetidine-3-carbonitrile
CID 126961699
(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl phenyl ether
CID 4564703
(3-Isopropoxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 44404926
(2S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(phenoxymethyl)morpholine
CID 127032082
N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine
CID 134139906
5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyridine-2-carbonitrile
CID 164611425
5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-[(3S)-pyrrolidin-3-yl]oxypyridine-2-carbonitrile
CID 164625755

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine (CID 154753505) is N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine is Cc1cc(N2CCC(Oc3ccnc(CN(C)C)c3)C2)ncn1.
What is the InChIKey of N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine?
The InChIKey is SHSBDXBOGPZCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-8-17(20-12-19-13)22-7-5-16(11-22)23-15-4-6-18-14(9-15)10-21(2)3/h4,6,8-9,12,16H,5,7,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine?
N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine has a molecular weight of 313.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine is sourced from PubChem (CID 154753505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).