2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine

C12H18N4 — CID 116796967

IUPAC2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C12H18N4/c13-11-5-6-14-12(15-11)16(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8H2,(H2,13,14,15)
InChIKeyHVNKPSCSWNTDRV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.69
Rot. Bonds5

About 2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine

2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine (PubChem CID 116796967) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine
PubChem CID116796967
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C12H18N4/c13-11-5-6-14-12(15-11)16(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8H2,(H2,13,14,15)
InChIKeyHVNKPSCSWNTDRV-UHFFFAOYSA-N
XLogP1.69
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-bis(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 127655233
5-(aminomethyl)-N,N-bis(cyclopropylmethyl)-4-methylpyrimidin-2-amine
CID 83186265
2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide
CID 107550528
3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile
CID 82813472
6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine
CID 80647313
2-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 116796417
2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871752
2-(cyclopentylmethyl)pyrimidin-4-amine
CID 70097820
2-N,2-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 115978115
2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 116797183
6-chloro-2-N,2-N-bis(cyclopropylmethyl)pyridine-2,3-diamine
CID 115474204
6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 116796564

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine (CID 116796967) is 2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine is Nc1ccnc(N(CC2CC2)CC2CC2)n1.
What is the InChIKey of 2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine?
The InChIKey is HVNKPSCSWNTDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c13-11-5-6-14-12(15-11)16(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8H2,(H2,13,14,15).
What are the key properties of 2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine?
2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116796967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).