2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine

C15H24N4O — CID 82745448

IUPAC2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C2CCOC2)nc(C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-3-7-16-13-9-14(18-15(17-13)11-4-5-11)19(2)12-6-8-20-10-12/h9,11-12H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyNIXGDNBHPFCGTG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.40
Rot. Bonds6

About 2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 82745448) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID82745448
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C2CCOC2)nc(C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-3-7-16-13-9-14(18-15(17-13)11-4-5-11)19(2)12-6-8-20-10-12/h9,11-12H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyNIXGDNBHPFCGTG-UHFFFAOYSA-N
XLogP2.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,2-dimethyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82746093
2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82751277
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
CID 82745901
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80967188
4-N-butyl-2-cyclopropyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80955798
2-cyclopropyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80967706
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80959411
4-N-cyclopropyl-4-N-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967123
4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403149
2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80957701
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine (CID 82745448) is 2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)C2CCOC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is NIXGDNBHPFCGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-7-16-13-9-14(18-15(17-13)11-4-5-11)19(2)12-6-8-20-10-12/h9,11-12H,3-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 276.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 82745448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).