4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine

C19H29N5O — CID 131839618

IUPAC4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3[nH]cc(C4CCOCC4)c23)CC1
InChIInChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)
InChIKeyJPINYIWLTLYJCV-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.14
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine

4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine (PubChem CID 131839618) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
PubChem CID131839618
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3[nH]cc(C4CCOCC4)c23)CC1
InChIInChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)
InChIKeyJPINYIWLTLYJCV-UHFFFAOYSA-N
XLogP3.14
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine (CID 131839618) is 4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine is CN(C)C1CCC(Nc2ncnc3[nH]cc(C4CCOCC4)c23)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is JPINYIWLTLYJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine?
4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 343.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 131839618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).