4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine

C17H30N6O — CID 122557563

IUPAC4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(NCC2(CN3CCN(C)CC3)CC2)nc(N)n1
InChIInChI=1S/C17H30N6O/c1-13(2)24-15-10-14(20-16(18)21-15)19-11-17(4-5-17)12-23-8-6-22(3)7-9-23/h10,13H,4-9,11-12H2,1-3H3,(H3,18,19,20,21)
InChIKeyMJAVZJCROAYPTH-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.29
Rot. Bonds7

About 4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine

4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine (PubChem CID 122557563) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine
PubChem CID122557563
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(NCC2(CN3CCN(C)CC3)CC2)nc(N)n1
InChIInChI=1S/C17H30N6O/c1-13(2)24-15-10-14(20-16(18)21-15)19-11-17(4-5-17)12-23-8-6-22(3)7-9-23/h10,13H,4-9,11-12H2,1-3H3,(H3,18,19,20,21)
InChIKeyMJAVZJCROAYPTH-UHFFFAOYSA-N
XLogP1.29
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine (CID 122557563) is 4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine is CC(C)Oc1cc(NCC2(CN3CCN(C)CC3)CC2)nc(N)n1.
What is the InChIKey of 4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine?
The InChIKey is MJAVZJCROAYPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-13(2)24-15-10-14(20-16(18)21-15)19-11-17(4-5-17)12-23-8-6-22(3)7-9-23/h10,13H,4-9,11-12H2,1-3H3,(H3,18,19,20,21).
What are the key properties of 4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine?
4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine has a molecular weight of 334.47 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-6-propan-2-yloxypyrimidine-2,4-diamine is sourced from PubChem (CID 122557563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).