4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

C18H29N7 — CID 56750198

IUPAC4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCc1n[nH]c(C)c1CCCN(C)c1nc(N(C)C)nc2c1CCNC2
InChIInChI=1S/C18H29N7/c1-12-14(13(2)23-22-12)7-6-10-25(5)17-15-8-9-19-11-16(15)20-18(21-17)24(3)4/h19H,6-11H2,1-5H3,(H,22,23)
InChIKeyREOSQLXHCXBMBI-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.60
Rot. Bonds6

About 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 56750198) has the molecular formula C18H29N7 and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID56750198
Molecular FormulaC18H29N7
Molecular Weight343.48 g/mol
Exact Mass343.25
IUPAC Name4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCc1n[nH]c(C)c1CCCN(C)c1nc(N(C)C)nc2c1CCNC2
InChIInChI=1S/C18H29N7/c1-12-14(13(2)23-22-12)7-6-10-25(5)17-15-8-9-19-11-16(15)20-18(21-17)24(3)4/h19H,6-11H2,1-5H3,(H,22,23)
InChIKeyREOSQLXHCXBMBI-UHFFFAOYSA-N
XLogP1.60
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (CID 56750198) is 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is Cc1n[nH]c(C)c1CCCN(C)c1nc(N(C)C)nc2c1CCNC2.
What is the InChIKey of 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is REOSQLXHCXBMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7/c1-12-14(13(2)23-22-12)7-6-10-25(5)17-15-8-9-19-11-16(15)20-18(21-17)24(3)4/h19H,6-11H2,1-5H3,(H,22,23).
What are the key properties of 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 343.48 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 56750198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).