N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine

C17H21N7 — CID 171995868

IUPACN,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCCN(c3ncnc4[nH]ccc34)C2)n1
InChIInChI=1S/C17H21N7/c1-12-5-7-19-17(22-12)23(2)13-4-3-9-24(10-13)16-14-6-8-18-15(14)20-11-21-16/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,18,20,21)
InChIKeyNTZKMGZEIZIJFB-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.16
Rot. Bonds3

About N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine

N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 171995868) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID171995868
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC NameN,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCCN(c3ncnc4[nH]ccc34)C2)n1
InChIInChI=1S/C17H21N7/c1-12-5-7-19-17(22-12)23(2)13-4-3-9-24(10-13)16-14-6-8-18-15(14)20-11-21-16/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,18,20,21)
InChIKeyNTZKMGZEIZIJFB-UHFFFAOYSA-N
XLogP2.16
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine with MolForge

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Related Compounds

N-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanesulfonamide
CID 154582611
4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
CID 171998183
N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 171998007
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
N-methyl-N-prop-2-ynyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 123829826
5-isocyano-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazin-2-amine
CID 140934992
5-isocyano-N-methyl-N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine
CID 140717536
2-N,2-N,4-N-trimethyl-4-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172899884
4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 67251949
(3R)-N-(3-isocyanophenyl)-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 140613497
4-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 95345040
4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 154794907

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine (CID 171995868) is N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine is Cc1ccnc(N(C)C2CCCN(c3ncnc4[nH]ccc34)C2)n1.
What is the InChIKey of N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is NTZKMGZEIZIJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-12-5-7-19-17(22-12)23(2)13-4-3-9-24(10-13)16-14-6-8-18-15(14)20-11-21-16/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,18,20,21).
What are the key properties of N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine?
N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 171995868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).