2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine

C18H22N6 — CID 135390649

IUPAC2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine
SMILESCC(C)(N)C(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H22N6/c1-17(2,19)18(3,4)24-16-13-7-10-21-11-14(13)22-15(23-16)12-5-8-20-9-6-12/h5-11H,19H2,1-4H3,(H,22,23,24)
InChIKeyMYPGOQOVEQKGDN-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.01
Rot. Bonds4

About 2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine

2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine (PubChem CID 135390649) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine.

Molecular Properties

Compound Name2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine
PubChem CID135390649
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine
SMILESCC(C)(N)C(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H22N6/c1-17(2,19)18(3,4)24-16-13-7-10-21-11-14(13)22-15(23-16)12-5-8-20-9-6-12/h5-11H,19H2,1-4H3,(H,22,23,24)
InChIKeyMYPGOQOVEQKGDN-UHFFFAOYSA-N
XLogP3.01
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine?
The IUPAC name of 2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine (CID 135390649) is 2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine.
What is the SMILES notation for 2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine?
The canonical SMILES for 2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine is CC(C)(N)C(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine?
The InChIKey is MYPGOQOVEQKGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-17(2,19)18(3,4)24-16-13-7-10-21-11-14(13)22-15(23-16)12-5-8-20-9-6-12/h5-11H,19H2,1-4H3,(H,22,23,24).
What are the key properties of 2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine?
2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine has a molecular weight of 322.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine is sourced from PubChem (CID 135390649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).