1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C18H31N7 — CID 163299098

IUPAC1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESNC1CNCCN1C(N)C1CC1.c1nc(C2CC2)nc2c1CNCC2
InChIInChI=1S/C10H13N3.C8H18N4/c1-2-7(1)10-12-6-8-5-11-4-3-9(8)13-10;9-7-5-11-3-4-12(7)8(10)6-1-2-6/h6-7,11H,1-5H2;6-8,11H,1-5,9-10H2
InChIKeyNXEBKLRLVXRKCE-UHFFFAOYSA-N
MW345.50 g/mol
LogP-0.13
Rot. Bonds3

About 1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 163299098) has the molecular formula C18H31N7 and a molecular weight of 345.50 g/mol. Its IUPAC name is 1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID163299098
Molecular FormulaC18H31N7
Molecular Weight345.50 g/mol
Exact Mass345.26
IUPAC Name1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESNC1CNCCN1C(N)C1CC1.c1nc(C2CC2)nc2c1CNCC2
InChIInChI=1S/C10H13N3.C8H18N4/c1-2-7(1)10-12-6-8-5-11-4-3-9(8)13-10;9-7-5-11-3-4-12(7)8(10)6-1-2-6/h6-7,11H,1-5H2;6-8,11H,1-5,9-10H2
InChIKeyNXEBKLRLVXRKCE-UHFFFAOYSA-N
XLogP-0.13
TPSA105.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.50
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 163299098) is 1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is NC1CNCCN1C(N)C1CC1.c1nc(C2CC2)nc2c1CNCC2.
What is the InChIKey of 1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is NXEBKLRLVXRKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C8H18N4/c1-2-7(1)10-12-6-8-5-11-4-3-9(8)13-10;9-7-5-11-3-4-12(7)8(10)6-1-2-6/h6-7,11H,1-5H2;6-8,11H,1-5,9-10H2.
What are the key properties of 1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 345.50 g/mol, XLogP of -0.13, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 163299098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).