8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine

C22H29N7O2 — CID 73386778

IUPAC8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1nc(N2CCOCC2)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1
InChIInChI=1S/C22H29N7O2/c1-22(2,3)14-25-19-18-15(7-8-23-19)13-24-21(28-18)26-16-5-6-17(27-20(16)30-4)29-9-11-31-12-10-29/h5-8,13H,9-12,14H2,1-4H3,(H,23,25)(H,24,26,28)
InChIKeyURYJZPLLFVHMQD-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.47
Rot. Bonds6

About 8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine

8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 73386778) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID73386778
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1nc(N2CCOCC2)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1
InChIInChI=1S/C22H29N7O2/c1-22(2,3)14-25-19-18-15(7-8-23-19)13-24-21(28-18)26-16-5-6-17(27-20(16)30-4)29-9-11-31-12-10-29/h5-8,13H,9-12,14H2,1-4H3,(H,23,25)(H,24,26,28)
InChIKeyURYJZPLLFVHMQD-UHFFFAOYSA-N
XLogP3.47
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine (CID 73386778) is 8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine is COc1nc(N2CCOCC2)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1.
What is the InChIKey of 8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is URYJZPLLFVHMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-22(2,3)14-25-19-18-15(7-8-23-19)13-24-21(28-18)26-16-5-6-17(27-20(16)30-4)29-9-11-31-12-10-29/h5-8,13H,9-12,14H2,1-4H3,(H,23,25)(H,24,26,28).
What are the key properties of 8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine?
8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 423.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2,2-dimethylpropyl)-2-N-(2-methoxy-6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 73386778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).