4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

C18H25N5O — CID 56738315

IUPAC4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCc1cccc(C)c1OCC(C)Nc1nc(N)nc2c1CCNC2
InChIInChI=1S/C18H25N5O/c1-11-5-4-6-12(2)16(11)24-10-13(3)21-17-14-7-8-20-9-15(14)22-18(19)23-17/h4-6,13,20H,7-10H2,1-3H3,(H3,19,21,22,23)
InChIKeyDJERMENRYNCZBU-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.20
Rot. Bonds5

About 4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 56738315) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID56738315
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCc1cccc(C)c1OCC(C)Nc1nc(N)nc2c1CCNC2
InChIInChI=1S/C18H25N5O/c1-11-5-4-6-12(2)16(11)24-10-13(3)21-17-14-7-8-20-9-15(14)22-18(19)23-17/h4-6,13,20H,7-10H2,1-3H3,(H3,19,21,22,23)
InChIKeyDJERMENRYNCZBU-UHFFFAOYSA-N
XLogP2.20
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (CID 56738315) is 4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is Cc1cccc(C)c1OCC(C)Nc1nc(N)nc2c1CCNC2.
What is the InChIKey of 4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is DJERMENRYNCZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-11-5-4-6-12(2)16(11)24-10-13(3)21-17-14-7-8-20-9-15(14)22-18(19)23-17/h4-6,13,20H,7-10H2,1-3H3,(H3,19,21,22,23).
What are the key properties of 4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 327.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 56738315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).